diff --git a/examples/code_fragments/mm/ethanol_example.py b/examples/code_fragments/mm/ethanol_example.py index 846b2b901ace02eb8af7c44806eee9bffbe268c1..1f8988d384b37763a1a97099959a604b0da2df1c 100644 --- a/examples/code_fragments/mm/ethanol_example.py +++ b/examples/code_fragments/mm/ethanol_example.py @@ -22,9 +22,7 @@ class Anim(QtCore.QTimer): def OnTimer(self): self.sim.Steps(1) - positions = sim.GetPositions() - for a, pos in zip(self.ent.atoms,positions): - self.ed.SetAtomPos(a,pos) + self.sim.UpdatePositions() self.go.UpdatePositions() diff --git a/examples/code_fragments/mm/ethanol_example_using_topology.py b/examples/code_fragments/mm/ethanol_example_using_topology.py index 19a32ed0a53e6547722cf29aac347b07413eaa8f..5587a07f988d3d9c9f7fe957b500b8b1eab22154 100644 --- a/examples/code_fragments/mm/ethanol_example_using_topology.py +++ b/examples/code_fragments/mm/ethanol_example_using_topology.py @@ -36,9 +36,7 @@ class Anim(QtCore.QTimer): self.counter += 1 self.sim.Steps(1) - positions = sim.GetPositions() - for a, pos in zip(self.ent.atoms,positions): - self.ed.SetAtomPos(a,pos) + self.sim.UpdatePositions() self.go.UpdatePositions() self.steps+=1 diff --git a/examples/code_fragments/mm/gb_example.py b/examples/code_fragments/mm/gb_example.py index 7939adb17600f9b2025ffdf341a44e5eae9ffb88..99a55343c6d4b0873ac0b71922eebf41fb9ae491 100644 --- a/examples/code_fragments/mm/gb_example.py +++ b/examples/code_fragments/mm/gb_example.py @@ -22,10 +22,7 @@ class Anim(QtCore.QTimer): def OnTimer(self): self.sim.Steps(5) - positions = sim.GetPositions() - for a, pos in zip(self.ent.atoms,positions): - self.ed.SetAtomPos(a,pos) - self.ed.UpdateICS() + self.sim.UpdatePositions() self.go.UpdatePositions()